| CAS Number | 1193390-44-1 |
| Catalog Number | AG019WNI |
| Chemical Name | methyl 2-{[(3-fluorophenyl)methyl]amino}acetate hydrochloride |
| IUPAC Name | methyl 2-[(3-fluorophenyl)methylamino]acetate;hydrochloride |
| InChI | InChI=1S/C10H12FNO2.ClH/c1-14-10(13)7-12-6-8-3-2-4-9(11)5-8;/h2-5,12H,6-7H2,1H3;1H |
| InChI Key | NBLIETMXZLSDAS-UHFFFAOYSA-N |
| MDL Number | MFCD12913121 |
| Molecular Formula | C10H13ClFNO2 |
| Molecular Weight | 233.6671 |
| SMILES | Cl.COC(CNCC1=CC(F)=CC=C1)=O |
| Synonyms | methyl 2-{[(3-fluorophenyl)methyl]amino}acetate hydrochloride,
1193390-44-1,
AC1Q3BY6,
CTK6J2654,
MCULE-7533822034,
NE59496,
EN300-52529,
Z763367856,
methyl 2-([(3-fluorophenyl)methyl]amino)acetate hydrochloride,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.667g/mol |
| Monoisotopic Mass | 233.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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